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A quantum chemical study of the formation of 2-hydroperoxy-coelenterazine in the Сa2+-regulated photoprotein obelin / L. Y. Antipina [et al.] // J. Struct. Chem. - 2011. - Vol. 52, Is. 5. - P. 870-875. - Cited References: 19. - The work was supported by RFBR (07-04-00930-a), the "Molecular and Cell Biology" Program of the Presidium of the Russian Academy of Sciences, and the Program of the Siberian Division of the Russian Academy of Sciences (project No. 2) within the implementation of the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2010" (P333 and P213). . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CALCIUM-DISCHARGED OBELIN
   SEMIEMPIRICAL METHODS
   1.7 ANGSTROM
   OPTIMIZATION
   PARAMETERS
   MECHANISM
   FLUORESCENCE
   ELEMENTS
   PROTEIN
   EMITTER
Кл.слова (ненормированные):
coelenterazine -- 2-hydroperoxy-coelenterazine -- Obelia longissima -- Renilla muelleri
Аннотация: The Ca2+-regulated photoprotein obelin determines the luminescence of the marine hydroid Obelia longissima. Bioluminescence is initiated by calcium and appears as a result of the oxidative decarboxylation related to the coelenterazine substrate. The luciferase of the luminescent marine coral Renilla muelleri (RM) also uses coelenterazine as a substrate. However, three proteins are involved in the in vivo bioluminescence of these animals: luciferase, green fluorescent protein, and Ca2+-regulated coelenterazine-binding protein (CBP). In fact, CBP that contains one strongly bound coelenterazine molecule is the RM luciferase substrate in the in vivo bioluminescent reaction. Coelenterazine becomes available for oxygen and the reaction with luciferase only after binding CBP with calcium ions. Unlike Ca2+-regulated photoproteins, the coelenterazine molecule is not activated by oxygen in the CBP molecule. In this work, by means of quantum chemical methods the behavior of substrates in these proteins is analyzed. It is shown that coelenterazine can form different tautomers: CLZ(2H) and CLZ(7H). The formation of 2-hydroperoxy-coelenterazine is studied. According to the obtained data, these proteins use different forms of the substrates for the reaction. In obelin, the substrate is in the CLZ(2H) form that affords hydrogen peroxide. In RM, coelenterazine is in the CLZ(7H) form, and therefore, CBP is not activated by oxygen.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk, Russia
Russian Acad Sci, Inst Biophys, Siberian Div, Krasnoyarsk, Russia
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Antipina, L. Yu.; Tomilin, F. N.; Томилин, Феликс Николаевич; Vysotski, E. S.; Высоцкий, Евгений Степанович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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    Amino-functionalized Fe3O4@SiO2 core-shell magnetic nanoparticles for dye adsorption / C.-R. Lin, O. S. Ivanova, D. A. Petrov [et al.] // Nanomaterials. - 2021. - Vol. 11, Is. 9. - Ст. 2371, DOI 10.3390/nano11092371. - Cited References: 35. - The authors are thankful for the financial support the Russian Foundation for Basic Research, Grant № 19-52-52002, Ministry of Science and Technology of Taiwan, Grants MOST № 108-2923-M-153-001-MY3 and № 109-2112-M-153-003-, the Russian Foundation for Basic Research with Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science, the research project number 19-42-240005: “Features of the electronic structure, magnetic properties and optical excitations in nanocrystals of the multifunctional magnetic chalcogenides Fe3S4 and FeSe”. We thank also the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation, where the Transmission Electron Microscopy studies were carried out . - ISSN 2079-4991
   Перевод заглавия: Амино-функциональные магнитные наночастицы ядро-оболочка Fe3O4@SiO2 для адсорбции красителей
Кл.слова (ненормированные):
Fe3O4@SiO2 -- core-shell nanoparticles -- magnetic properties -- water pollutions -- fluorescence -- adsorption
Аннотация: Fe3O4@SiO2 core-shell nanoparticles (NPs) were synthesized with the co-precipitation method and functionalized with NH2 amino-groups. The nanoparticles were characterized by X-ray, FT-IR spectroscopy, transmission electron microscopy, selected area electron diffraction, and vibrating sample magnetometry. The magnetic core of all the nanoparticles was shown to be nanocrystalline with the crystal parameters corresponding only to the Fe3O4 phase covered with a homogeneous amorphous silica (SiO2) shell of about 6 nm in thickness. The FT-IR spectra confirmed the appearance of chemical bonds at amino functionalization. The magnetic measurements revealed unusually high saturation magnetization of the initial Fe3O4 nanoparticles, which was presumably associated with the deviations in the Fe ion distribution between the tetrahedral and octahedral positions in the nanocrystals as compared to the bulk stoichiometric magnetite. The fluorescent spectrum of eosin Y-doped NPs dispersed in water solution was obtained and a red shift and line broadening (in comparison with the dye molecules being free in water) were revealed and explained. Most attention was paid to the adsorption properties of the nanoparticles with respect to three dyes: methylene blue, Congo red, and eosin Y. The kinetic data showed that the adsorption processes were associated with the pseudo-second order mechanism for all three dyes. The equilibrium data were more compatible with the Langmuir isotherm and the maximum adsorption capacity was reached for Congo red.

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Держатели документа:
Department of Applied Physics, National Pingtung University, Pingtung City, 90003, Taiwan
Kirensky Institute of Physics, FRC KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Lin, C. -R.; Ivanova, O. S.; Иванова, Оксана Станиславовна; Petrov, D. A.; Петров, Дмитрий Анатольевич; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Chen, Y. -Z.; Gerasimova, M. A.; Zharkov, S. M.; Жарков, Сергей Михайлович; Tseng, Y. -T.; Shestakov, N. P.; Шестаков, Николай Петрович; Edelman, I. S.; Эдельман, Ирина Самсоновна
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Averyanov, E. M.
New features in the structural relaxation of a nematic liquid-crystal doped with luminescent impurity molecules / E. M. Averyanov, V. A. Gunyakov // JETP Letters. - 1993. - Vol. 57, Is. 8. - P. 492-496. - Cited References: 15 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
FLUORESCENCE DEPOLARIZATION
ORIENTATIONAL RELAXATION
FLUOROPHORES
Аннотация: A new approach is proposed for interpreting the polarized fluorescence spectra of an impure liquid crystal in which the orientational order of excited impurity molecules has undergone relaxation. This approach has also been realized experimentally. The new experimental data demonstrate a new relaxation process with a time scale on the order of 10(-11)-10(-9) s.

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Доп.точки доступа:
Gunyakov, V. A.; Гуняков, Владимир Алексеевич; Аверьянов, Евгений МихайловичAver'yanov
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AVERYANOV, E. M.
POLARIZED LUMINESCENCE SPECTRUM OF IMPURITY LIQUID-CRYSTAL - THE DEGENERATION LIFTED AND RENEWED BY RELAXATION / E. M. AVERYANOV // Zhurnal Eksperimentalnoi Teor. Fiz. - 1993. - Vol. 103, Is. 6. - P. 2018-2038. - Cited References: 45 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
RESOLVED FLUORESCENCE DEPOLARIZATION
   UNIAXIAL MOLECULAR SAMPLES
   NEMATIC ORDER PARAMETERS
   EXCITED-STATES
   SPECTROSCOPY
   MEMBRANES
   FLUOROPHORES
   ORIENTATION
   TRANSITION
   DYES
Аннотация: The general molecular-statistical approach is proposed for the analysis or the polarized luminescence spectrum for impurity molecule of an arbitrary symmetry in the nematic liquid crystal matrix. On the particular example of uniaxial molecules the influence of features of the molecular electron structure, orientational statistics, molecular dynamics, and features of the anisotropic intermolecular coupling upon the positions of maxima v(if)(t) of impurity fluorescence polarized bands J(ij)(t) is studied. For the first time it is shown that all these factors significantly affect the degree of spectrum v(ij)(t) degeneration. For t not-equal 0, relaxation of excited impurity molecule subsystem toward the orientational distribution lifts a partial degeneration of spectrum v(ij), occuring at t not-equal 0, and renews partial or total degeneration of spectrum v(ij) in the limit t = infinity. In the lack of the spectrum v(ij) degeneration for t = 0 the relaxation may restore partial degeneration for t not-equal 0 as a function of the features of electron structure of molecules. The results of work explain the familiar experimental data on the number of independent component v(ij) and relation between them, on dependence of v(ij) upon the order of matrix and impurity subsystem, on the mutual relation in the positions of impurity band polarized component in the absorption and fluorescence spectra.

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Averyanov, E. M.
Splitting of polarized impurity fluorescence bands in the steady-state spectrum of an isotropic solution / E. M. Averyanov // JETP Letters. - 1994. - Vol. 59, Is. 1. - P. 23-26. - Cited References: 12 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
RELAXATION
Аннотация: A difference is predicted between the peaks, nu(VV) and nu(VH), Of the polarized components J(VV)(nu) and J(VH)(nu) in the steady-state spectrum of impurity fluorescence in an isotropic solution. This difference would result from a temporal correlation between an orientational Brownian diffusion of excited fluorescing molecules and a structural relaxation of the surrounding matrix molecules.

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Доп.точки доступа:
Аверьянов, Евгений МихайловичAver'yanov
}
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AVERYANOV, E. M.
STATIONARY SPECTRUM OF ADMIXED LIQUID-CRYSTAL POLARIZED FLUORESCENCE / E. M. AVERYANOV // Zhurnal Eksperimentalnoi Teor. Fiz. - 1994. - Vol. 106, Is. 3. - P. 767-779. - Cited References: 29 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
LOCAL FIELD
   SPECTROSCOPY
   PARAMETERS
   DYES

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    Bukhanov, E. R.
    A study of wheat wax optical properties / E. R. Bukhanov, Y. L. Gurevich, K. A. Shabanova // Photonics & Electromagnetics Research Symposium - Fall (PIERS - Fall) : IEEE, 2019. - P. 2890-2897. - (Progress in Electromagnetics Research Symposium), DOI 10.1109/PIERS-Fall48861.2019.9021781. - Cited References: 36
   Перевод заглавия: Изучение оптических свойств воска пшеницы

РУБ Engineering, Electrical & Electronic + Physics, Applied
Рубрики:
DIMENSIONAL PHOTONIC CRYSTALS
BLUE-GREEN FLUORESCENCE
Аннотация: Epicuticular waxes are a multifunctional interface between a plant and the environment. In this paper wheat leaves wax has been studied. Wax isolation was carried out using the method of gradual freezing in water followed by slow thawing. The morphology of the samples obtained was observed with a Hitachi SU3500 electron microscope. The structure period is determined by the nanotubes diameter which equals 150-200 nm. Random orientation of their long axes in the layer allows using a one-dimensional model to calculate the transmission spectrum of a photonic crystal with the help of the transfer matrix method. While making the calculations a defect that may be caused by possible interlayer heterogeneity also must be taken into account. Numerical modeling made it possible to identify the stop zone and the defective mode. Intense fluorescence appears in the optical area of the wax layer under ultraviolet radiation, thus increasing the efficiency of photosynthesis.

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Держатели документа:
Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Krasnoyarsk, Russia.
Fed Res Ctr KSC SB RAS, Krasnoyarsk, Russia.
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk, Russia.

Доп.точки доступа:
Gurevich, Y. L.; Shabanova, K. A.; Буханов, Евгений Романович; Photonics and Electromagnetics Research Symposium - Fall(2019 ; Dec 17-20 ; Xiamen, China)
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Fluorescence and photoinduced proton transfer in the protolytic forms of fluorescein: Experimental and computational study / M. A. Gerasimova [et al.] // Dyes Pigm. - 2020. - Vol. 173. - Ст. 107851, DOI 10.1016/j.dyepig.2019.107851. - Cited References: 58. - This work is supported by the Russian Foundation for Basic Research, Russia (project 19-02-00450 ). S.A.V. thanks the National Science Foundation, United States for financial support through a CAREER Award ( CHE-1654547 ). . - ISSN 0143-7208
Кл.слова (ненормированные):
Fluorescein protolytic forms -- Absorption -- Fluorescence -- TD-DFT -- Proton transfer -- Excited-state dissociation constant
Аннотация: In contrast to the well-studied absorption spectra of different protolytic forms of fluorescein, the complex structure of the fluorescence spectra in a wide pH range is not completely understood because of the interplay between emission and photoinduced proton transfer in the electronic excited states. We provide insight into this interplay through a combined analysis of the experimental data, obtained by absorption and steady-state fluorescence spectroscopy at pH 0.3–10.5, and the time-dependent density functional theory (TD-DFT). The TD-DFT based computational model is validated on dianion and used to model the spectra of other protolytic forms. The protolytic/tautomeric forms of fluorescein are classified according to the partial charges on the triple chromophore ring, and electronic transitions are analyzed in terms of changes in molecular geometries and orbitals. A linear regression analysis between the calculated and experimental results based on both absorption and well-understood dianionic and cationic fluorescence peaks is used to assign the monoanionic (496 nm), neutral quinoid (550 nm) and neutral zwitterionic (483 nm) fluorescence peaks, whose positions were not clear prior to this work. The values of the excited-state dissociation microconstants pka* for different forms of fluorescein are calculated by means of the Forster cycle in conjunction with the spectroscopic measurements and computational data.

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Держатели документа:
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Department of Chemistry, University of Nevada, Reno, North Virginia Street 1664, Reno, NV 89557-0216, United States
Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology, Central 2, Umezono 1-1-1, Tsukuba, 305-8568, Japan

Доп.точки доступа:
Gerasimova, M. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Malyar, E. Y.; Varganov, S. A.; Fedorov, D. G.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Slyusareva, E. A.
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    Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors / Chen M. [et al.] // J. Mater. Chem. C. - 2015. - Vol. 3, Is. 48. - P. 12477-12483, DOI 10.1039/c5tc03271g. - Cited References: 39. - This work was supported by the National Natural Science Foundations of China (Grant No. 51572023 and 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306), and Fundamental Research Funds for the Central Universities (FRF-TP-14-005A1). . - ISSN 2050-7534
   Перевод заглавия: Исследования структуры Ba4Si6O16 и люминесцентных свойств Ba4Si6O16:Ce3+,Eu2+

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
LIGHT-EMITTING-DIODES
   ENERGY-TRANSFER
   LUMINESCENCE PROPERTIES
   WHITE-LIGHT
   GLASS-CERAMICS
   BA PHOSPHORS
   EMISSION
   GREEN
   EU2+
   FLUORESCENCE
Аннотация: The versatile polymorphism and chemical compositions of barium silicates have been studied for a long time and their crystal structures have been established. Herein, we focused on the understanding of the crystal structure of the Ba4Si6O16 phase and the structural correlation of Ba4Si6O16 and Ba2Si3O8; moreover, the luminescence properties of Ce3+,Eu2+-co-activated Ba4Si6O16 phosphors have been discussed. Ba4Si6O16:Ce3+,Eu2+ phosphors show tunable blue-green emission upon excitation with 365 nm ultraviolet (UV) light. The blue emission originates from Ce3+, whereas the bluish-green emission is ascribed to Eu2+, and variation in the emission peak wavelength from 442 to 497 nm can be achieved by properly tuning the Ce3+/Eu2+ ratio. Energy transfer from Ce3+ to Eu2+ in the Ba4Si6O16 host has been validated by the variation of emission spectra as well as the variation of Ce3+ decay lifetimes with increasing Eu2+ concentration, and the energy transfer mechanism is demonstrated to be a resonant type via a dipole-dipole process. The results suggest that Ba4Si6O16:Ce3+,Eu2+ phosphors are potential candidates as a blue-green component for UV-excited white light-emitting diodes. © 2015 The Royal Society of Chemistry.

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Держатели документа:
Key Laboratory of New Energy Materials and Technologies, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Chen M.; Xia Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Liu Q.
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10.

Interactions of chemically synthesized ferrihydrite nanoparticles with human serum transferrin: Insights from fluorescence spectroscopic studies / C. G. Chilom, N. Sandu, S. Iftimie [et al.] // Int. J. Mol. Sci. - 2021. - Vol. 22, Is. 13. - Ст. 7034, DOI 10.3390/ijms22137034. - Cited References: 39. - The work was accomplished with the financial support of the RO-JINR Projects No. 365/11.05.2021, items 8, 87 and 98 and respectivelly, No. 366/11.05.2021, items 7, 86 and 97 . - ISSN 1661-6596
Кл.слова (ненормированные):
Ferrihydrite nanoparticles -- Human serum transferrin -- Binding mechanism -- Driving forces -- Molecular docking
Аннотация: Human serum transferrin (HST) is a glycoprotein involved in iron transport that may be a candidate for functionalized nanoparticles to bind and target cancer cells. In this study, the effects of the simple and doped with cobalt (Co) and copper (Cu) ferrihydrite nanoparticles (Fh-NPs, Cu-Fh-NPs, and Co-Fh-NPs) were studied by spectroscopic and molecular approaches. Fluorescence spectroscopy revealed a static quenching mechanism for all three types of Fh-NPs. All Fh-NPs interacted with HST with low affinity, and the binding was driven by hydrogen bonding and van der Waals forces for simple Fh-NPs and by hydrophobic interactions for Cu-Fh-NPs and Co-Fh-NPs binding, respectively. Of all samples, simple Fh-NPs bound the most to the HST binding site. Fluorescence resonance energy transfer (FRET) allowed the efficient determination of the energy transfer between HST and NPs and the distance at which the transfer takes place and confirmed the mechanism of quenching. The denaturation of the HST is an endothermic process, both in the case of apo HST and HST in the presence of the three types of Fh-NPs. Molecular docking studies revealed that Fh binds with a low affinity to HST (Ka = 9.17 × 103 M−1) in accord with the fluorescence results, where the interaction between simple Fh-NPs and HST was described by a binding constant of 9.54 × 103 M−1.

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Держатели документа:
Department of Electricity, Solid Physics and Biophysics, Faculty of Physics, University of Bucharest, Str Atomistilor 405, CP MG 11, Magurele, RO?077125, Romania
Joint Institute for Nuclear Research, Joliot?Curie No. 6, Dubna, 141980, Russian Federation
Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering, Magurele, RO?077125, Romania
Moscow Institute of Physics and Technology, Institutskiy Per. No. 9, Dolgoprudniy, 141701, Russian Federation
Krasnoyarsk Science Center of the Siberian, Branch of the Russian Academy of Sciences, Akademgorodok St. No.50, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Chilom, C. G.; Sandu, N.; Iftimie, S.; Balasoiu, M.; Rogachev, A.; Orelovich, O.; Stolyar, S. V.; Столяр, Сергей Викторович
}
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